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8J9N
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BU of 8j9n by Molmil
Gq bound FZD1 in ligand-free state
Descriptor: Frizzled-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
Descriptor: GLYCEROL, effector protein SidK
Authors:Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2017-01-04
Release date:2017-05-10
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
Descriptor: GLYCEROL, effector protein SidK
Authors:Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ...
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.547 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
Descriptor: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2019-03-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
5VOX
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BU of 5vox by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 1)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5VOZ
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BU of 5voz by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3)
Descriptor: Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5VOY
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BU of 5voy by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 2)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
8VB1
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BU of 8vb1 by Molmil
Crystal structure of HIV-1 protease with GS-9770
Descriptor: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease
Authors:Lansdon, E.B.
Deposit date:2023-12-11
Release date:2024-03-06
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
Descriptor: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STH
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BU of 8sth by Molmil
human STING with diABZI agonist 15
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
Descriptor: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
Authors:Zhang, G.
Deposit date:2003-03-07
Release date:2003-05-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
Descriptor: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
Authors:Kohls, D, Xie, X.
Deposit date:2015-09-15
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Descriptor: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H.
Deposit date:2020-02-27
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
1IAS
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BU of 1ias by Molmil
CYTOPLASMIC DOMAIN OF UNPHOSPHORYLATED TYPE I TGF-BETA RECEPTOR CRYSTALLIZED WITHOUT FKBP12
Descriptor: SULFATE ION, TGF-BETA RECEPTOR TYPE I
Authors:Huse, M, Muir, T.W, Chen, Y.-G, Kuriyan, J, Massague, J.
Deposit date:2001-03-23
Release date:2001-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The TGF beta receptor activation process: an inhibitor- to substrate-binding switch.
Mol.Cell, 8, 2001
5ZTM
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BU of 5ztm by Molmil
Crystal structure of MLE dsRBDs in complex with roX2 (R2H1)
Descriptor: Dosage compensation regulator, non-coding mRNA sequence roX2
Authors:Lv, M.Q, Tang, Y.J.
Deposit date:2018-05-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structural insights reveal the specific recognition of roX RNA by the dsRNA-binding domains of the RNA helicase MLE and its indispensable role in dosage compensation in Drosophila.
Nucleic Acids Res., 47, 2019
7F3Q
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BU of 7f3q by Molmil
SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ...
Authors:Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K.
Deposit date:2021-06-16
Release date:2022-06-22
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method.
Antib Ther, 6, 2023
8DEY
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BU of 8dey by Molmil
Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709
Descriptor: (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Ma, X, Ornelas, E, Clifton, M.C.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
7VQ2
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BU of 7vq2 by Molmil
Structure of Apo-hsTRPM2 channel TM domain
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
Deposit date:2021-10-18
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7VQ1
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BU of 7vq1 by Molmil
Structure of Apo-hsTRPM2 channel
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
Deposit date:2021-10-18
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
6O7G
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BU of 6o7g by Molmil
Solution structure of MLL4 PHD6 domain in complex with histone H4K16ac peptide
Descriptor: Histone H4, Histone-lysine N-methyltransferase 2D, ZINC ION
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2019-03-07
Release date:2019-05-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Selective binding of the PHD6 finger of MLL4 to histone H4K16ac links MLL4 and MOF.
Nat Commun, 10, 2019
6PLK
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BU of 6plk by Molmil
Crystal structure of ZIKV-116 Fab in complex with ZIKV envelope DIII
Descriptor: Env, ZIKV-116 heavy chain, ZIKV-116 light chain
Authors:Zhao, H, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-01
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of differential Zika and dengue virus neutralization by a public antibody lineage targeting the DIII lateral ridge.
J.Exp.Med., 217, 2020
5W4U
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BU of 5w4u by Molmil
Pol II elongation complex with an N6-methyladenine-containing template
Descriptor: 14mer non-template DNA, 29mer template DNA, 9mer RNA, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
5W51
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BU of 5w51 by Molmil
Pol II elongation complex with an N6-methyladenine-containing template and a matched UMPNPP
Descriptor: 14mer non-template DNA, 29mer template DNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017

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PDB entries from 2024-04-24

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